Geometry & MOs

Info

ID:	152350
PubChem CID:	56311265
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	436.193297
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	0.93
IP(EA), eV:	-8.72(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

DOS

IR

Vibrations